SCHEMBL2561464

SCHEMBL2561464

CNC(=O)COc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2559153 0.89 CYP2D6 (0.47) ALDH1A1SMN1; SMN2MAPTLMNATDP1
SCHEMBL29953474 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAERN1
SCHEMBL2563279 0.86 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPTLMNAERN1
SCHEMBL3997757 0.86 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTLMNAERN1
SCHEMBL15331888 0.85 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTLMNAERN1
SCHEMBL2552640 0.85 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTLMNATDP1
SCHEMBL29956598 0.84 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTLMNAERN1
SCHEMBL2556198 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNAERN1
SCHEMBL6021915 0.84 PTGDR2 (0.61) ALDH1A1SMN1; SMN2MAPTLMNATDP1
SCHEMBL2556381 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPTLMNATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed